N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine

C15H19N3OS — CID 71996040

IUPACN-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine
SMILESCSC1(CNc2cnc3ccccc3n2)CCOCC1
InChIInChI=1S/C15H19N3OS/c1-20-15(6-8-19-9-7-15)11-17-14-10-16-12-4-2-3-5-13(12)18-14/h2-5,10H,6-9,11H2,1H3,(H,17,18)
InChIKeyVVEZMZFRKUZOFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine

N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine (PubChem CID 71996040) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine
PubChem CID71996040
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine
SMILESCSC1(CNc2cnc3ccccc3n2)CCOCC1
InChIInChI=1S/C15H19N3OS/c1-20-15(6-8-19-9-7-15)11-17-14-10-16-12-4-2-3-5-13(12)18-14/h2-5,10H,6-9,11H2,1H3,(H,17,18)
InChIKeyVVEZMZFRKUZOFZ-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine (CID 71996040) is N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine is CSC1(CNc2cnc3ccccc3n2)CCOCC1.
What is the InChIKey of N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is VVEZMZFRKUZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-20-15(6-8-19-9-7-15)11-17-14-10-16-12-4-2-3-5-13(12)18-14/h2-5,10H,6-9,11H2,1H3,(H,17,18).
What are the key properties of N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine?
N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 71996040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).